element(s):
['Ni']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7844']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.7844, 0, 0], [0, 2.7844, 0], [0, 0, 2.7844]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:21:06       -3.541955         0.235240
BFGS:    1 16:21:06       -3.543931         0.157225
BFGS:    2 16:21:07       -3.545596         0.008484
BFGS:    3 16:21:07       -3.545601         0.000331
BFGS:    4 16:21:07       -3.545601         0.000001
BFGS:    5 16:21:07       -3.545601         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.908385337109148e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7990670536730757, -1.1757708111739174e-32, 2.9647588128798224e-33], [-5.143690108114647e-33, 2.7990670536730757, -8.402642397187747e-20], [1.7513648806882197e-33, -8.40264239718727e-20, 2.7990670536730757]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.90838534e-12 -5.90838534e-12 -5.90838534e-12 -4.85561788e-29
  1.63878742e-34 -1.00248730e-50]
energy per atom =  -1.7728004229119496
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0